8K7J
Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3R,4S,5R)-2-((dimethylamino)methyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-03-25 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.677, 90.677, 216.331 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.680 - 2.010 |
| R-factor | 0.1582 |
| Rwork | 0.157 |
| R-free | 0.19070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r47 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.906 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.080 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.105 | 0.657 |
| Number of reflections | 68290 | 6025 |
| <I/σ(I)> | 21.1 | |
| Completeness [%] | 98.6 | |
| Redundancy | 10.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 100 mM Tris-HCl buffer 7.2, 25% PEG4000 and 200 mM ammonium sulfate |
